[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)C2=CN(N=C2C3=CC(=CC=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-19-9-6-7-14-24(19)28-25(31)18-34-27(32)23-17-30(16-20-10-4-3-5-11-20)29-26(23)21-12-8-13-22(15-21)33-2/h3-15,17H,16,18H2,1-2H3,(H,28,31)